GD033084

Name:

AFEROSIDE B

Formula:

C46H72O17

Smiles:

CC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)C(=CC[C@@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@H](C)CO8)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]54)C3)O[C@@H](CO)[C@@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(O)OC(CO)C(OC3OCC(O)(CO)C3O)C2O)C(O)C1O

Other Identifiers

• CHEMBL510683
• CNP0269105

AD00005

Formula: C27H42O3

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	5.71	Num_rotatable_bonds:	0
MolWt:	414.63	Num_heavy_atoms:	30
TPSA:	38.69	NumAromaticRings:	0